[gmx-users] GLUH problem

Jason Lee tamu_jason at hotmail.com
Fri Mar 17 05:52:28 CET 2006

Dear all:

I am trying to use pdb2gmx to generate files for my molecules.  I have 
protonated GLU in it. So I am using GLUH as the residue name. However the 
program complains that

Fatal error: Atom HE2 in residue GLU 4 not found in rtp entry with 10 atoms
             while sorting atoms. Maybe different protonation state.
             Remove this hydrogen or choose a different protonation state.
             Option -ignh will ignore all hydrogens in the input.

But I do find HE2 for GLUH in ffG43a1.rtp. It seems that pdb2gmx can't 
recongnize GLUH. I am using gromacs 3.2.1. Could anyone give me any hints on 

Appreciate it.

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